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In the replica-exchange molecular dynamics method, where constant-temperaturemolecular dynamics simulations are performed in each replica, one usuallyrescales the momentum of each particle after replica exchange. This rescalingmethod had previously been worked out only for the Gaussian constraint method.In this letter, we present momentum rescaling formulae for four other commonlyused constant-temperature algorithms, namely, Langevin dynamics, Andersenalgorithm, Nos\'{e}-Hoover thermostat, and Nos\'{e}-Poincar\'{e} thermostat.The effectiveness of these rescaling methods is tested with a smallbiomolecular system, and it is shown that proper momentum rescaling isnecessary to obtain correct results in the canonical ensemble.

Replica-Exchange Molecular Dynamics Simulations for Various Constant Temperature Algorithms